1-methyl-4-[2-methyl-2-nitro-1-(phenylsulfonyl)propyl]-5-nitro-imidazole

Systemtic Name: 1-methyl-4-[2-methyl-2-nitro-1-(phenylsulfonyl)propyl]-5-nitro-imidazole Openeye Name: 4-[1-(benzenesulfonyl)-2-methyl-2-nitro-propyl]-1-methyl-5-nitro-imidazole CAS Name: 4-[1-(benzenesulfonyl)-2-methyl-2-nitropropyl]-1-methyl-5-nitroimidazole IUPAC Name: 4-[1-(benzenesulfonyl)-2-methyl-2-nitropropyl]-1-methyl-5-nitroimidazole Traditional Name: 4-(1-besyl-2-methyl-2-nitro-propyl)-1-methyl-5-nitro-imidazole Formula: C14H16N4O6S MolecularWeight: 368.36504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C1=C(N(C=N1)C)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(C1=C(N(C=N1)C)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O6S/c1-14(2,18(21)22)12(11-13(17(19)20)16(3)9-15-11)25(23,24)10-7-5-4-6-8-10/h4-9,12H,1-3H3